1-(2,2-difluoroethyl)-N-(5-phenyl-1H-pyrazol-4-yl)pyrazole-3-carboxamide

C15H13F2N5O — CID 154864337

IUPAC1-(2,2-difluoroethyl)-N-(5-phenyl-1H-pyrazol-4-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1ccccc1)c1ccn(CC(F)F)n1
InChIInChI=1S/C15H13F2N5O/c16-13(17)9-22-7-6-11(21-22)15(23)19-12-8-18-20-14(12)10-4-2-1-3-5-10/h1-8,13H,9H2,(H,18,20)(H,19,23)
InChIKeySHXMCYYNQZAGOH-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.79
Rot. Bonds5

About 1-(2,2-difluoroethyl)-N-(5-phenyl-1H-pyrazol-4-yl)pyrazole-3-carboxamide

1-(2,2-difluoroethyl)-N-(5-phenyl-1H-pyrazol-4-yl)pyrazole-3-carboxamide (PubChem CID 154864337) has the molecular formula C15H13F2N5O and a molecular weight of 317.30 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(5-phenyl-1H-pyrazol-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(5-phenyl-1H-pyrazol-4-yl)pyrazole-3-carboxamide
PubChem CID154864337
Molecular FormulaC15H13F2N5O
Molecular Weight317.30 g/mol
Exact Mass317.11
IUPAC Name1-(2,2-difluoroethyl)-N-(5-phenyl-1H-pyrazol-4-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1ccccc1)c1ccn(CC(F)F)n1
InChIInChI=1S/C15H13F2N5O/c16-13(17)9-22-7-6-11(21-22)15(23)19-12-8-18-20-14(12)10-4-2-1-3-5-10/h1-8,13H,9H2,(H,18,20)(H,19,23)
InChIKeySHXMCYYNQZAGOH-UHFFFAOYSA-N
XLogP2.79
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-difluoroethyl)-N-(5-phenyl-1H-pyrazol-4-yl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]amino]-1H-pyrazole-5-carboxylate
CID 154862546
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
CID 154863063
1-(2,2-difluoroethyl)pyrazole-3-carboxylic acid;ethane
CID 145001463
2,6-difluoro-N-[5-(4-iodophenyl)-1H-pyrazol-4-yl]benzamide
CID 66770779
N-(5-phenyl-1H-pyrazol-4-yl)-1H-indole-5-carboxamide
CID 146085335
3-(1-methylpyrazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzamide
CID 118392902
N-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19581536
3-[3-[[2-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506596
1-(methoxymethyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19270816
1-[(4-phenylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide
CID 19273348
N-(2,3,4,5,6-pentafluorophenyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 4867083
1-[(2,6-dichlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
CID 17021920

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(5-phenyl-1H-pyrazol-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(5-phenyl-1H-pyrazol-4-yl)pyrazole-3-carboxamide (CID 154864337) is 1-(2,2-difluoroethyl)-N-(5-phenyl-1H-pyrazol-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(5-phenyl-1H-pyrazol-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(5-phenyl-1H-pyrazol-4-yl)pyrazole-3-carboxamide is O=C(Nc1cn[nH]c1-c1ccccc1)c1ccn(CC(F)F)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(5-phenyl-1H-pyrazol-4-yl)pyrazole-3-carboxamide?
The InChIKey is SHXMCYYNQZAGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O/c16-13(17)9-22-7-6-11(21-22)15(23)19-12-8-18-20-14(12)10-4-2-1-3-5-10/h1-8,13H,9H2,(H,18,20)(H,19,23).
What are the key properties of 1-(2,2-difluoroethyl)-N-(5-phenyl-1H-pyrazol-4-yl)pyrazole-3-carboxamide?
1-(2,2-difluoroethyl)-N-(5-phenyl-1H-pyrazol-4-yl)pyrazole-3-carboxamide has a molecular weight of 317.30 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(5-phenyl-1H-pyrazol-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 154864337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).